dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate

C16H18N2O4 — CID 57121358

IUPACdimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate
SMILESCOC(=O)C1=NN=C(C)C(C(=O)OC)C1c1ccc(C)cc1
InChIInChI=1S/C16H18N2O4/c1-9-5-7-11(8-6-9)13-12(15(19)21-3)10(2)17-18-14(13)16(20)22-4/h5-8,12-13H,1-4H3
InChIKeyUBSLSZZMYSZGPB-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.87
Rot. Bonds3

About dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate

dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate (PubChem CID 57121358) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate
PubChem CID57121358
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Namedimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate
SMILESCOC(=O)C1=NN=C(C)C(C(=O)OC)C1c1ccc(C)cc1
InChIInChI=1S/C16H18N2O4/c1-9-5-7-11(8-6-9)13-12(15(19)21-3)10(2)17-18-14(13)16(20)22-4/h5-8,12-13H,1-4H3
InChIKeyUBSLSZZMYSZGPB-UHFFFAOYSA-N
XLogP1.87
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-diazo-3-phenylpropanoate
CID 85303691
1-O-methyl 5-O-(2,2,2-trifluoroethyl) (3S)-4-diazo-2-methylidene-3-[4-(trifluoromethyl)phenyl]pentanedioate
CID 137316262
Methyl 2-diazo-6-phenylhexanoate
CID 57864517
Diethyl 2,6-dimethyl-4-(4-methylphenyl)-3,4-dihydropyridine-3,5-dicarboxylate
CID 78423195
Diethyl 6-methyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3,5-dicarboxylate
CID 57007798
Dimethyl 4-methyl-6-methylimino-2-[4-(trifluoromethyl)phenyl]cyclohex-4-ene-1,3-dicarboxylate
CID 57116997
Dimethyl 4-methyl-6-methylimino-2-[4-(trifluoromethyl)phenyl]cyclohex-3-ene-1,3-dicarboxylate
CID 57134532
Methyl 5-acetyl-6-methyl-4-[4-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3-carboxylate
CID 57154055
Methyl 3-ethyl-6-methyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-4-carboxylate
CID 57193382
Methyl 5-(3-fluoropropylimino)-2-methyl-3-(4-methylphenyl)heptanoate
CID 132151671
Methyl 5-(3-fluoropropylimino)-2-methyl-3-(4-methylphenyl)octanoate
CID 132151754
ethyl 7-[(2-fluorophenyl)methyl]-4-methyl-5,6-dihydro-4H-diazepine-3-carboxylate
CID 146439186

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate?
The IUPAC name of dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate (CID 57121358) is dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate is COC(=O)C1=NN=C(C)C(C(=O)OC)C1c1ccc(C)cc1.
What is the InChIKey of dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate?
The InChIKey is UBSLSZZMYSZGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-9-5-7-11(8-6-9)13-12(15(19)21-3)10(2)17-18-14(13)16(20)22-4/h5-8,12-13H,1-4H3.
What are the key properties of dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate?
dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate has a molecular weight of 302.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate is sourced from PubChem (CID 57121358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).